4-Nitrophenylsuccinic acid

CAT: 0286-N11420-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0286-N11420-01Size:1 g

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CAS Number

21021-53-4

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00024766

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-(4-Nitrophenyl)succinic acid

CAS Number	21021-53-4
PubChem CID	313002
IUPAC Name	2-(4-nitrophenyl)butanedioic acid
Molecular Formula	C10H9NO6
Molecular Weight	239.18
XLogP	0.7
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	315

SMILES

C1=CC(=CC=C1C(CC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9NO6/c12-9(13)5-8(10(14)15)6-1-3-7(4-2-6)11(16)17/h1-4,8H,5H2,(H,12,13)(H,14,15)

InChIKey

HGBMGRXIQJGDDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21021-53-4

CID: 313002

Formula: C10H9NO6

MW: 239.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	239.18
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	239.04298701
Monoisotopic Mass	239.04298701
Topological Polar Surface Area	120 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	315
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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285783-01	4-Nitrophenylsuccinic acid
233466-01	4-Nitrophenylsuccinic acid ≥96% (HPLC)
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
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sc-277680	4,4,4-Trichlorobutyric acid
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OR73423-01	4,4',4''-Nitrilotribenzoic acid
sc-262191	4,4,4-Trifluorobutyric acid
PC7292-01	4,4,4-Trifluorobutanoic acid
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4-Nitrophenylsuccinic acid

Chemical Information

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